%chk=000215583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215583

0 1
S -1.008890 2.246288 0.767115
O 1.150862 -0.106467 -0.101700
O 2.308699 1.664428 0.706834
N 4.206176 -2.209100 0.143214
C 3.385762 -1.053825 -0.342133
C 2.100544 -1.042689 0.495762
C 5.093081 -1.794182 1.270842
C 5.015945 -2.791128 -0.967689
C -2.254044 1.063967 0.390869
C 0.232092 2.001636 -0.530450
C -4.321180 -0.757950 -0.047734
C 1.350678 1.242612 0.107094
C -1.954405 -0.291808 0.243300
C -3.571569 1.524817 0.316802
C -2.989309 -1.201528 0.018218
C -4.605182 0.610272 0.103339
C -5.428158 -1.729656 -0.294191
H 3.120851 -1.181753 -1.413542
H 3.898442 -0.069524 -0.263915
H 2.274882 -0.755376 1.545798
H 1.543293 -1.995144 0.436583
H 5.590824 -2.688947 1.677846
H 5.865996 -1.057459 1.006361
H 4.479334 -1.367276 2.080441
H 4.335830 -3.168286 -1.748383
H 5.732986 -2.098944 -1.432283
H 5.575695 -3.659524 -0.583254
H -0.183860 1.480261 -1.416432
H 0.580798 2.999503 -0.874851
H -0.918275 -0.643475 0.297892
H -3.799150 2.586535 0.424681
H -2.760552 -2.258688 -0.102007
H -5.633784 0.961267 0.050443
H -5.172406 -2.748879 0.025532
H -6.350744 -1.451951 0.233803
H -5.670963 -1.778730 -1.366608


%chk=000215583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215583

0 1
S -1.099723 2.294009 0.956484
O 1.231807 -0.141043 0.099951
O 2.437016 1.746963 0.764363
N 4.413984 -2.193700 0.219043
C 3.379310 -1.309878 -0.361505
C 2.287623 -1.021646 0.686756
C 5.399618 -1.469426 1.049876
C 5.065257 -3.070905 -0.774077
C -2.393706 1.077561 0.452018
C 0.260394 2.010986 -0.351669
C -4.507403 -0.728729 -0.188376
C 1.428312 1.238222 0.225454
C -2.093793 -0.230420 0.006858
C -3.742666 1.486092 0.584548
C -3.148189 -1.113103 -0.319296
C -4.783521 0.582727 0.278066
C -5.632618 -1.680442 -0.556096
H 2.912128 -1.823537 -1.221244
H 3.797709 -0.344181 -0.735405
H 2.700767 -0.526022 1.581542
H 1.761242 -1.945813 0.967457
H 6.043478 -2.196165 1.576616
H 6.056754 -0.789271 0.451924
H 4.888008 -0.857068 1.811238
H 4.302736 -3.661361 -1.312029
H 5.674338 -2.514869 -1.530895
H 5.737312 -3.777892 -0.254667
H -0.200973 1.490327 -1.203363
H 0.600678 3.015190 -0.642775
H -1.053384 -0.563496 -0.068868
H -3.976488 2.503042 0.918004
H -2.905725 -2.125323 -0.665941
H -5.824596 0.909177 0.391196
H -5.312626 -2.734411 -0.479600
H -6.510892 -1.542106 0.099278
H -5.971867 -1.514195 -1.597267


